1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine

C18H29N5O2S — CID 110260458

IUPAC1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCc1cc(N2CCN(S(=O)(=O)N3CCCC3)CC2)cc(C2CCCN2)n1
InChIInChI=1S/C18H29N5O2S/c1-15-13-16(14-18(20-15)17-5-4-6-19-17)21-9-11-23(12-10-21)26(24,25)22-7-2-3-8-22/h13-14,17,19H,2-12H2,1H3
InChIKeyDUEYMZOMIDXYQC-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.28
Rot. Bonds4

About 1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine

1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine (PubChem CID 110260458) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine
PubChem CID110260458
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCc1cc(N2CCN(S(=O)(=O)N3CCCC3)CC2)cc(C2CCCN2)n1
InChIInChI=1S/C18H29N5O2S/c1-15-13-16(14-18(20-15)17-5-4-6-19-17)21-9-11-23(12-10-21)26(24,25)22-7-2-3-8-22/h13-14,17,19H,2-12H2,1H3
InChIKeyDUEYMZOMIDXYQC-UHFFFAOYSA-N
XLogP1.28
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619879
N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide
CID 92619675
1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619861
(2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone
CID 92619877
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619631
6-[[4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methyl]quinoline
CID 92619694
N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine
CID 110260485
4-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 83858445
1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110705779
5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
CID 138391870
N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 122348324
2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114269459

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
The IUPAC name of 1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine (CID 110260458) is 1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine is Cc1cc(N2CCN(S(=O)(=O)N3CCCC3)CC2)cc(C2CCCN2)n1.
What is the InChIKey of 1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
The InChIKey is DUEYMZOMIDXYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-15-13-16(14-18(20-15)17-5-4-6-19-17)21-9-11-23(12-10-21)26(24,25)22-7-2-3-8-22/h13-14,17,19H,2-12H2,1H3.
What are the key properties of 1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine has a molecular weight of 379.53 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 110260458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).